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Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl octyl ester

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Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl octyl ester
SpectraBase Compound ID L2jaO8X8Tuj
InChI InChI=1S/C21H24F8O4/c1-2-3-4-5-6-7-11-32-16(30)14-9-8-10-15(12-14)17(31)33-13-19(24,25)21(28,29)20(26,27)18(22)23/h8-10,12,18H,2-7,11,13H2,1H3
InChIKey ZQQLWTYGYZUACA-UHFFFAOYSA-N
Mol Weight 492.41 g/mol
Molecular Formula C21H24F8O4
Exact Mass 492.154685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6YV2XubGUno
Name Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 492.154684553 u
Formula C21H24F8O4
InChI InChI=1S/C21H24F8O4/c1-2-3-4-5-6-7-11-32-16(30)14-9-8-10-15(12-14)17(31)33-13-19(24,25)21(28,29)20(26,27)18(22)23/h8-10,12,18H,2-7,11,13H2,1H3
InChIKey ZQQLWTYGYZUACA-UHFFFAOYSA-N
Molecular Weight 492.406 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCCCCC)C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O